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Merge branch 'master' of git://git.gromacs.org/gromacs
2010-08-02
Ch
r
i
s
toph J
u
nghans
Merge branch 'm
a
st
e
r' o
f
git://git
.
gro
m
acs
.
org
/
gro
m
a
cs
commit
|
commitdiff
|
tree
2010-08-02
C
hrist
o
ph Junghans
updated ignore files
commit
|
commitdiff
|
tree
2010-07-31
Christoph Junghans
removed
a
wrong me
s
sage about c
g
-
c
g
k
ernels in ns
.
c
commit
|
commitdiff
|
tree
2010-07-31
Chr
i
stoph Junghans
removed
M
_LN2, not needed any
m
ore
commit
|
commitdiff
|
tree
2010-07-31
C
h
ris
t
oph
Junghans
Merge b
r
a
nch 'master' of gi
t
:/
/
git
.
gromacs
.
o
r
g/gromacs
commit
|
commitdiff
|
tree
2010-07-30
Christoph Ju
n
ghans
cmake: make GSL
f
u
ll
y
opti
o
nal
commit
|
commitdiff
|
tree
2010-07-30
C
h
ristoph
J
u
ng
h
ans
merged parts of th
e
de
b
ian
p
a
tch set
commit
|
commitdiff
|
tree
2010-07-30
Christoph Junghans
remo
v
e
d
old
m
o
t
if stuff from
s
tatutil
.
h
commit
|
commitdiff
|
tree
2010-07-30
Christoph
J
ung
h
ans
r
e
move som
e
deprecated hea
d
er
s
, which are not used
.
.
.
commit
|
commitdiff
|
tree
2010-07-30
Chris
t
oph Jungha
n
s
switched
to the right gsl
de
f
ine (HAVE_LIBG
S
L)
i
n
cmake
.
.
.
commit
|
commitdiff
|
tree
2010-07-30
Christoph J
u
nghans
added rig
h
t thr
e
ads flag
i
n cmake pkg-co
n
fig files
commit
|
commitdiff
|
tree
2010-07-29
Chr
i
stoph Junghans
cm
a
ke creates
pc
f
iles n
o
w
commit
|
commitdiff
|
tree
2010-07-29
Chr
i
sto
p
h
J
u
n
ghans
tell
a
c
l
ocal
a
b
out con
f
ig
dir
commit
|
commitdiff
|
tree
2010-07-29
Christop
h
Ju
n
ghans
Merge branch 'master' of
gi
t
://git
.
gromacs
.
org/gromacs
commit
|
commitdiff
|
tree
2010-07-29
C
h
r
istoph Junghans
adde
d
configure chec
k
for 'ln -s
'
commit
|
commitdiff
|
tree
2010-07-28
Christ
o
p
h
J
u
n
ghans
Merge branch 'mast
e
r
'
of git://
g
it
.
grom
a
cs
.
org/gromacs
commit
|
commitdiff
|
tree
2010-07-28
Chri
s
toph J
u
nghans
up
d
ated tem
p
la
t
e
progr
a
m to new header style and added
.
.
.
commit
|
commitdiff
|
tree
2010-07-28
Christop
h
Junghans
added smal
l
script
to
c
heck for
u
sability of headers
commit
|
commitdiff
|
tree
2010-07-28
Christoph J
u
nghans
f
i
x
ed rest of include typo
s
in headers
commit
|
commitdiff
|
tree
2010-07-28
Christop
h
Jung
h
ans
fixed som
e
include typos i
n
headers
commit
|
commitdiff
|
tree
2010-07-27
Christoph
Junghans
added -no-undefin
e
d to
LDFLAGS of
a
ll libs
commit
|
commitdiff
|
tree
2010-07-27
Christop
h
Jungha
n
s
m
a
ke --enable-
p
ower6
c
ompile again (bug #475)
commit
|
commitdiff
|
tree
2010-07-22
Chri
s
top
h
Junghans
f
i
xed some inc
l
ude typo
s
i
n
headers
commit
|
commitdiff
|
tree
2010-07-21
Christoph Jun
g
han
s
Merge
b
ranch 'ma
s
ter' of
g
it:
/
/git
.
gromac
s
.
org/gromacs
commit
|
commitdiff
|
tree
2010-07-21
Ch
r
istoph Junghans
adde
d
adress references
commit
|
commitdiff
|
tree
2010-07-12
C
h
r
i
stoph Junghans
M
erge branch
'
m
aster' of g
i
t:
/
/git
.
gr
o
m
acs
.
o
r
g/groma
c
s
commit
|
commitdiff
|
tree
2010-07-08
Christoph Junghans
ad
d
ed mi
s
sin
g
t
able in g_membed
commit
|
commitdiff
|
tree
2010-07-08
Christoph
Junghans
c
h
a
nge t
o
new gmx_fio s
t
yle functions in
t
pxio
.
c
commit
|
commitdiff
|
tree
2010-07-08
Christoph Junghans
M
erge
branch 'ma
s
ter
'
of gi
t
:
/
/gi
t
.
gromacs
.
org/gromacs
commit
|
commitdiff
|
tree
2010-07-06
Christoph Ju
n
ghans
Merge bra
n
ch 'mast
e
r' of git://g
i
t
.
gromacs
.
o
r
g/
g
rom
a
cs
commit
|
commitdiff
|
tree
2010-06-17
Chr
i
st
o
p
h Junghans
Merge branch '
m
aster
'
of git://git
.
gromac
s
.
o
rg
/
gromacs
commit
|
commitdiff
|
tree
2010-06-15
Christoph Junghans
Merge branch 'master' of git://git
.
g
r
omacs
.
org/gromac
s
commit
|
commitdiff
|
tree
2010-06-08
Christop
h
Jungh
a
ns
Merge branch
'
master' of git:/
/
git
.
g
r
om
a
cs
.
o
r
g/gromacs
commit
|
commitdiff
|
tree
2010-06-08
Chr
i
stop
h
Junghan
s
remove old
f
rom
cguni
t
s
commit
|
commitdiff
|
tree
2010-06-08
C
hristoph Jungha
n
s
c
h
a
n
g
ed co
p
yright
heade
r
b
a
c
k to d
e
fault, if a
d
re
s
s
.
.
.
commit
|
commitdiff
|
tree
2010-06-08
Christoph Ju
n
ghans
removed
h
acky -
-
enable-cgunits
commit
|
commitdiff
|
tree
2010-06-08
Christoph Junghans
M
e
rge branch 'master' of git
:
//git
.
gromacs
.
org/gromacs
commit
|
commitdiff
|
tree
2010-04-21
Christop
h
Junghans
Merge branch 'master' of git
:
//git
.
groma
c
s
.
org/gromac
s
commit
|
commitdiff
|
tree
2010-04-04
Christoph J
u
ngh
a
ns
Merge branch 'mast
e
r' of g
i
t://
g
it
.
gromacs
.
org
/
gromacs
commit
|
commitdiff
|
tree
2010-04-04
C
hris
t
oph Junghans
i
n
creas
e
SHARED_VE
R
SION_I
N
FO to avoid problems with
.
.
.
commit
|
commitdiff
|
tree
2010-04-01
Christo
p
h Junghans
Merge
b
ranch 'master' of git://git
.
gromacs
.
org/gromacs
commit
|
commitdiff
|
tree
2010-03-18
Ch
r
istoph Jun
g
h
a
ns
M
er
g
e branch 'master
'
of
g
it://
g
it
.
gromac
s
.
org/gromacs
commit
|
commitdiff
|
tree
2010-03-08
Christoph Junghans
Change EETYPE define
commit
|
commitdiff
|
tree
2010-03-08
Christ
o
p
h
Junghans
Merge br
a
nch
'
master
'
of git://gi
t
.
g
romacs
.
org/gromacs
commit
|
commitdiff
|
tree
2010-02-24
Christoph Junghans
Merge branc
h
'mas
t
e
r
' o
f
git://git
.
gromacs
.
org/gromacs
commit
|
commitdiff
|
tree
2010-02-16
Christoph Jun
g
h
an
s
added CG
U
NIT
S
to config
.
h
commit
|
commitdiff
|
tree
2010-02-16
Christ
o
ph Junghans
added --
e
nable-cgunits to configure
commit
|
commitdiff
|
tree
2010-02-07
Chr
i
stoph Jun
g
hans
Merge br
a
nch 'maste
r
'
o
f
g
it://git
.
gromacs
.
org/gromacs
commit
|
commitdiff
|
tree
2010-02-05
Chr
i
st
o
p
h J
u
nghans
merge
w
ith upstream gromacs
commit
|
commitdiff
|
tree
2010-02-01
C
hri
s
t
o
ph Jungh
a
ns
G R
O M A
C
S -> AdResS G
R O M A C
S
commit
|
commitdiff
|
tree
2010-01-26
Christoph Junghans
f
ix when runn
i
ng
.
.
/configur
e
o
r
so
commit
|
commitdiff
|
tree
2010-01-26
Christoph Junghans
u
se long sha1sum as version not t
h
e short one
commit
|
commitdiff
|
tree
2010-01-25
Christoph Junghans
fixed typo in makef
i
le
commit
|
commitdiff
|
tree
2010-01-25
Christoph Junghans
minor fix in Make
f
i
l
e
.
a
m
commit
|
commitdiff
|
tree
2010-01-24
Ch
r
istoph Jun
g
hans
show git v
e
rsion in
proga
m
m messages
commit
|
commitdiff
|
tree
2010-01-18
Chris
t
oph Jungha
n
s
md
r
u
n
will
now switch
t
o adres
s
witho
u
t GMX_NBLI
S
T
CG
.
.
.
commit
|
commitdiff
|
tree
2010-01-14
Christoph Junghans
a
d
ded not
e
to md
.
log if
ADRESS kernel was used
commit
|
commitdiff
|
tree
2009-12-16
Christoph Jungha
n
s
Me
r
g
e
b
ranch 'master
'
of git://git
.
g
r
oma
c
s
.
org/gromacs
commit
|
commitdiff
|
tree
2009-11-30
Christ
o
ph
J
unghans
rename refmol -
>
refs everyw
h
ere
commit
|
commitdiff
|
tree
2009-11-30
Chr
i
stoph Jun
g
hans
removed old
benlistCG
_
CG variable
commit
|
commitdiff
|
tree
2009-11-30
Chr
i
stoph Junghans
merg
e
with
g
roma
c
s upstream
commit
|
commitdiff
|
tree
2009-11-30
Christoph Junghans
M
erge remot
e
branch 'remotes/origin
/
master'
commit
|
commitdiff
|
tree
2009-11-09
C
h
ristoph J
u
ngh
a
ns
Merge
b
ranch 'maste
r
' of g
i
t://git
.
grom
a
cs
.
org/gr
o
macs
.
.
.
commit
|
commitdiff
|
tree
2009-11-09
Christo
p
h Junghans
Merge branch '
m
aster' of git:
/
/git
.
grom
a
cs
.
org/
g
r
omacs
commit
|
commitdiff
|
tree
2009-10-09
C
h
r
istoph J
u
nghans
re
m
oved
f
r
->
b
H
a
veRefMol
from init_forc
e
rec
commit
|
commitdiff
|
tree
2009-10-07
C
hr
i
stoph Junghan
s
Merge b
r
anch
'mas
t
er' of git:
/
/
g
it
.
gromacs
.
org
/
gromacs
.
.
.
commit
|
commitdiff
|
tree
2009-10-07
Chri
s
toph Ju
n
ghans
Merge branch 'm
a
ster' of git:/
/
git
.
gromacs
.
org/gromacs
commit
|
commitdiff
|
tree
2009-10-02
Christoph Junghans
Merg
e
branch 'mast
e
r' of git://git
.
grom
a
cs
.
org/gromacs
commit
|
commitdiff
|
tree
2009-10-02
Christoph Junghans
Merge branch
'
master' of git://
g
it
.
gromacs
.
o
r
g/gromacs
.
.
.
commit
|
commitdiff
|
tree
2009-10-02
B
rad
L
ambeth
Again:
i
mplement pbc adress w
e
ight calculation, set
_
p
b
c
.
.
.
commit
|
commitdiff
|
tree
2009-09-30
Christoph
Jung
h
ans
C
reate br
a
n
ch for upstream
without refmol adr
e
ss
commit
|
commitdiff
|
tree
2009-09-29
Christoph Jun
g
hans
clean up the mess (a bit)
commit
|
commitdiff
|
tree
2009-09-28
Chr
i
stoph Junghans
Merge branch 'master' o
f
git://git
.
g
romacs
.
o
r
g
/g
r
omacs
commit
|
commitdiff
|
tree
2009-09-28
C
h
ristoph
J
ungha
n
s
m
ake g
m
x
dump
a
nd tpb
c
mp work wit
h
adres
s
commit
|
commitdiff
|
tree
2009-09-24
C
h
r
istoph
Ju
n
ghans
adde
d
the two adress checks to g
r
omp
p
commit
|
commitdiff
|
tree
2009-09-24
Christoph
J
un
g
hans
removed
a
l
l ADRES
S
defines
commit
|
commitdiff
|
tree
2009-09-24
Chri
s
toph Junghans
Moved adress ke
r
nel
t
o a own
file,
r
e
s
t
or
e
d o
r
ig
i
n
al
.
.
.
commit
|
commitdiff
|
tree
2009-09-24
Chri
s
toph J
u
nghans
M
e
rge
b
r
anch
'
mast
e
r' of
git://
g
it
.
gromacs
.
org/grom
a
cs
commit
|
commitdiff
|
tree
2009-09-24
Ch
r
istoph
J
u
nghans
added adre
s
s va
r
iab
l
es to mpd r
e
ad
i
n
commit
|
commitdiff
|
tree
2009-09-24
Christoph Jun
g
hans
removed al
l
GMX_CG_INNERLOOP define
s
commit
|
commitdiff
|
tree
2009-09-24
Christoph Junghans
a
l
low to en
a
ble CG-CG innerloops
in mdp file
u
sing
.
.
.
commit
|
commitdiff
|
tree
2009-09-21
Ch
r
istoph
Jung
h
a
n
s
Merge branch 'mas
t
er' of gi
t
://git
.
gro
m
acs
.
org/gromacs
commit
|
commitdiff
|
tree
2009-09-17
Christ
o
p
h Jungh
a
ns
Merge branch '
m
aster
'
of gi
t
://
g
it
.
grom
a
cs
.
o
rg/gromacs
commit
|
commitdiff
|
tree
2009-09-14
C
h
ristoph
J
ungh
a
ns
M
e
rge branch
'
mas
t
er' o
f
git:/
/
git
.
gro
m
acs
.
org/gromacs
commit
|
commitdiff
|
tree
2009-09-08
C
hristo
p
h Junghans
Merge branc
h
'mas
t
er' of git://g
i
t
.
groma
c
s
.
org/
g
r
o
macs
commit
|
commitdiff
|
tree
2009-09-06
C
h
risto
p
h
Junghans
Merge branch 'master' of git:
/
/git
.
g
r
oma
c
s
.
org/gromacs
commit
|
commitdiff
|
tree
2009-09-06
Christoph
Junghans
Merg
e
co
m
mit 'o
r
igin/comc
o
g'
commit
|
commitdiff
|
tree
2009-09-06
C
h
ristop
h
J
u
nghans
Revert "at
t
empt to fix vsite issue
f
o
r
parallel runs:
"
commit
|
commitdiff
|
tree
2009-09-06
C
h
rist
o
ph Junghans
Revert
"
forgot t
o
remove a debu
g
fprintf"
commit
|
commitdiff
|
tree
2009-09-01
Chris
t
o
ph
Junghans
added a lot of comments, b
r
ough
t
back
original gr
o
macs
.
.
.
commit
|
commitdiff
|
tree
2009-08-31
Christoph
J
u
n
ghans
Merge bran
c
h 'mas
t
er
'
o
f
git://git
.
gromacs
.
o
rg/groma
c
s
commit
|
commitdiff
|
tree
2009-08-31
Chri
s
toph Junghans
added
--enable-new-adres
s
wf
op
t
i
on t
o
conf
i
gu
r
e
commit
|
commitdiff
|
tree
2009-08-31
Christoph Junghans
a
d
ded g_rotmat to
.
gitig
n
ore
commit
|
commitdiff
|
tree
2009-08-31
Christop
h
Junghans
M
erge
b
r
anch '
m
aster' of git://git
.
gromacs
.
or
g
/gromacs
commit
|
commitdiff
|
tree
2009-08-26
Christop
h
J
unghans
Mer
g
e branch 'maste
r
' of git:/
/
git
.
gromacs
.
org/grom
a
c
s
commit
|
commitdiff
|
tree
2009-08-26
Chri
s
toph Jungh
a
ns
fixed c6/c12 issue for cg
particles
commit
|
commitdiff
|
tree
2009-08-25
Christop
h
Junghans
Merge branch 'm
a
ster' o
f
git://git
.
groma
c
s
.
org
/
gromacs
commit
|
commitdiff
|
tree
2009-08-25
Chris
t
oph Junghans
fi
x
ed
som
e
issue
i
n t
h
e
cg ker
n
el
commit
|
commitdiff
|
tree
2009-08-25
Chri
s
toph Junghans
correc
t
ed copyr
i
ght
and added Dox
y
gen doc in a
d
r
e
ss
.
h
commit
|
commitdiff
|
tree
2009-08-25
Christ
o
p
h
Junghan
s
Merge branch 'ma
s
t
er' of g
i
t://g
i
t
.
gromacs
.
org/gromacs
commit
|
commitdiff
|
tree
next